change to DoubleFloats.jl

HPMolSim · Apr 9, 2024 · eaaffd8 · eaaffd8
1 parent b63ac73
commit eaaffd8
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Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/Project.toml b/Project.toml
@@ -5,14 +5,14 @@ version = "1.0.0-DEV"
 
 [deps]
 ChebParticleMesh = "1983ef0c-217d-4026-99b0-9163e7750d85"
+DoubleFloats = "497a8b3b-efae-58df-a0af-a86822472b78"
 ExTinyMD = "fec76197-d59f-46dd-a0ed-76a83c21f7aa"
 FFTW = "7a1cc6ca-52ef-59f5-83cd-3a7055c09341"
 FastChebInterp = "cf66c380-9a80-432c-aff8-4f9c79c0bdde"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
 LoopVectorization = "bdcacae8-1622-11e9-2a5c-532679323890"
 OMEinsum = "ebe7aa44-baf0-506c-a96f-8464559b3922"
 Polynomials = "f27b6e38-b328-58d1-80ce-0feddd5e7a45"
-Quadmath = "be4d8f0f-7fa4-5f49-b795-2f01399ab2dd"
 SpecialFunctions = "276daf66-3868-5448-9aa4-cd146d93841b"
 SumOfExpVPMR = "2c69873a-e0bb-44e1-90b4-d15ac3b7e936"
 

diff --git a/src/FastSpecSoG.jl b/src/FastSpecSoG.jl
@@ -1,6 +1,6 @@
 module FastSpecSoG
 
-using ExTinyMD, LinearAlgebra, SpecialFunctions, ChebParticleMesh, SumOfExpVPMR, LoopVectorization, OMEinsum, FastChebInterp, Polynomials, FFTW, Quadmath
+using ExTinyMD, LinearAlgebra, SpecialFunctions, ChebParticleMesh, SumOfExpVPMR, LoopVectorization, OMEinsum, FastChebInterp, Polynomials, FFTW, DoubleFloats
 using Base.Threads
 
 import FastChebInterp: ChebPoly

diff --git a/src/energy/energy_long_naive.jl b/src/energy/energy_long_naive.jl
@@ -87,7 +87,7 @@ function long_energy_sw_0(qs::Vector{T}, poses::Vector{NTuple{3, T}}, L::NTuple{
             qj = qs[j]
             xj, yj, zj = poses[j]
 
-            t += qj * exp( - Float128((zi - zj)^2 / s^2))
+            t += qj * exp( - Double64((zi - zj)^2 / s^2))
         end
 
         atomic_add!(E, qi * T(t))